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Yorodumi- ChemComp-IE2: 4-(7-methylpyrazolo[3',4':4,5]thiopyrano[2,3-b]pyridin-1(4H)-yl)b... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: IE2 |
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Name | Name: |
-Chemical information
Composition | Formula: C16H14N4O2S2 / Number of atoms: 38 / Formula weight: 358.438 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: IE2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3QYK | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 |
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-PDB entries
Showing all 1 items
PDB-3qyk:
Human Carbonic Anhydrase II complexed with triple ring benzene sulfonamide inhibitor